N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: p-anisyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C25H29N7O+2 MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H27N7O/c1-33-20-9-7-19(8-10-20)17-28-24-21-5-2-3-6-22(21)29-23(30-24)18-31-13-15-32(16-14-31)25-26-11-4-12-27-25/h2-12H,13-18H2,1H3,(H,28,29,30)/p+2